Glycoside
GD136928
Name:
5'-(furan-3-yl)-8-methyl-2'-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydrospiro[naphtho[1,8a-c]furan-7,3'-oxolan]-10-yl acetateFormula:
C28H38O12Smiles:
CC(=O)OC1CC(C)C2(CC(c3ccoc3)OC2=O)C2CCCC3C(OC4OC(CO)C(O)C(O)C4O)OCC132Aglycone:
CC(=O)OC1CC(C)C2(CC(c3ccoc3)OC2=O)C2CCCC3C(O)OCC132Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 566.6 | Num_heavy_atoms: | 40 |
| TPSA: | 174.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD55339
Formula: C22H28O7
Smiles:
CC(=O)OC1CC(C)C2(CC(c3ccoc3)OC2=O)C2CCCC3C(O)OCC132| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.46 | Num_heavy_atoms: | 29 |
| TPSA: | 95.2 | NumAromaticRings: | 1 |
